CID 465610

3-[(etoco)me]azt

Structural Information

Molecular Formula
C14H19N5O6
SMILES
CCOC(=O)CN1C(=O)C(=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-])C
InChI
InChI=1S/C14H19N5O6/c1-3-24-12(21)6-19-13(22)8(2)5-18(14(19)23)11-4-9(16-17-15)10(7-20)25-11/h5,9-11,20H,3-4,6-7H2,1-2H3/t9-,10+,11+/m0/s1
InChIKey
KNERPDDAHYBWIY-HBNTYKKESA-N
Compound name
ethyl 2-[3-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.13354 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14082 179.4
[M+Na]+ 376.12276 186.5
[M-H]- 352.12626 186.3
[M+NH4]+ 371.16736 189.7
[M+K]+ 392.09670 180.4
[M+H-H2O]+ 336.13080 174.7
[M+HCOO]- 398.13174 203.7
[M+CH3COO]- 412.14739 213.2
[M+Na-2H]- 374.10821 183.7
[M]+ 353.13299 181.4
[M]- 353.13409 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.